SCHEMBL6400145

SCHEMBL6400145

O=C(NNS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 13/20 0.81
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
GAA P10253 2/20 0.69
HTT P42858 1/20 0.68
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
CYP3A4 P08684 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4765513 0.90 KAT6A (1.00) KAT6AMEN1KMT2AGAAHTT
SCHEMBL25284025 0.90 KAT6A (0.65) KAT6AMEN1KMT2AGAAHTT
SCHEMBL26104327 0.88 MEN1 (1.00) KAT6AMEN1KMT2AGAAHTT
SCHEMBL30305199 0.86 GAA (0.72) KAT6AMEN1KMT2AGAA
SCHEMBL20233085 0.86 KAT6A (0.83) KAT6AMEN1KMT2AGAA
SCHEMBL20233128 0.86 KAT6A (1.00) KAT6AGAA
SCHEMBL20233293 0.85 KAT6A (0.78) KAT6AMEN1KMT2AGAAHTT
SCHEMBL6396355 0.85 KAT6A (0.78) KAT6AMEN1KMT2AGAAHTT
SCHEMBL20233361 0.85 KAT6A (0.78) KAT6AMEN1KMT2AGAAHTT
SCHEMBL31331608 0.83 BCL2L1 (0.75) MEN1KMT2ANPC1RAB9ACTDSP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014841-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases HU LAIN-YEN (US) 2005-01-20 US claimed
US-6809119-B2 FOR USE AS AS NEURO-PROTECTIVE AGENTS FOR THERAPY OF CONDITIONS SUCH AS STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMINOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE WARNER-LAMBERT COMPANY LLC 2004-10-26 US claimed
US-20030149110-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases HU LAIN-YEN (US) 2003-08-07 US claimed
WO-2003045902-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO claimed
EP-1314723-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-05-28 EP claimed
US-20050014841-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases HU LAIN-YEN (US) 2005-01-20 US disclosed
US-6809119-B2 FOR USE AS AS NEURO-PROTECTIVE AGENTS FOR THERAPY OF CONDITIONS SUCH AS STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMINOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE WARNER-LAMBERT COMPANY LLC 2004-10-26 US disclosed
US-20030149110-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases HU LAIN-YEN (US) 2003-08-07 US disclosed
WO-2003045902-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed
EP-1314723-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-05-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030149110-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT KAT6A 1643/4885MEN1 2643/4885KMT2A 646/4885
US-20050014841-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT KAT6A 1643/4885MEN1 2643/4885KMT2A 646/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.